Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "db336bb55c898c5071dc6c356abf36c6",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 63.128,
"b": 77.630,
"c": 153.649,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97911],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [60.000,2.780],
"number_observations": 104922,
"number_observations_unique": 19258,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 6.800
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
"refln_shells": [
{
"resolution_limits": [2.880,2.780],
"number_observations_unique": 1895,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.499
},
{
"type": "R(meas)",
"value": 0.551
},
{
"type": "R(pim)",
"value": 0.229
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.890
}
]
},
{
"resolution_limits": [2.990,2.880],
"number_observations_unique": 1906,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.386
},
{
"type": "R(meas)",
"value": 0.426
},
{
"type": "R(pim)",
"value": 0.177
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.932
}
]
},
{
"resolution_limits": [3.130,2.990],
"number_observations_unique": 1909,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.290
},
{
"type": "R(meas)",
"value": 0.320
},
{
"type": "R(pim)",
"value": 0.133
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.959
}
]
},
{
"resolution_limits": [3.300,3.130],
"number_observations_unique": 1913,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.197
},
{
"type": "R(meas)",
"value": 0.218
},
{
"type": "R(pim)",
"value": 0.091
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [3.500,3.300],
"number_observations_unique": 1902,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "R(meas)",
"value": 0.164
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [3.770,3.500],
"number_observations_unique": 1912,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.132
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [4.150,3.770],
"number_observations_unique": 1920,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [4.750,4.150],
"number_observations_unique": 1935,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [5.990,4.750],
"number_observations_unique": 1940,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [60.000,5.990],
"number_observations_unique": 2026,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}